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Chemical ID: 7346618
Chemical ID:
7346618
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C4c5ccccc5C(=O)N4C(C3)C(=O)NC6CC6
InChi [?]:
InChI=1/C22H19N3O2/c26-21(23-12-9-10-12)18-11-16-13-5-3-4-8-17(13)24-19(16)20-14-6-1-2-7-15(14)22(27)25(18)20/h1-8,12,18,20,24H,9-11H2,(H,23,26)
InChi Info:
AuxInfo=1/1/N:13,14,1,2,6,12,15,3,26,27,21,25,5,11,16,7,4,20,8,10,22,17,24,9,19,23,18/E:(9,10)/rA:27cCCCCCCCCNCCCCCCCCONCCCONCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s17;s19;s7s20;s20;d22;s22;s24;s25;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19N3O2 |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.5466 |
Area: | 549.903 |
Solvation: | -3.20095 |
Coulombic: | -51.1796 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 357.405 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.58 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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